N-methyl-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanamine

C13H17N3 — CID 79102137

IUPACN-methyl-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanamine
SMILESCNC(C)c1cccn1Cc1ccncc1
InChIInChI=1S/C13H17N3/c1-11(14-2)13-4-3-9-16(13)10-12-5-7-15-8-6-12/h3-9,11,14H,10H2,1-2H3
InChIKeyDKBKSAPBROOPFD-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.21
Rot. Bonds4

About N-methyl-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanamine

N-methyl-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanamine (PubChem CID 79102137) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-methyl-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanamine
PubChem CID79102137
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-methyl-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanamine
SMILESCNC(C)c1cccn1Cc1ccncc1
InChIInChI=1S/C13H17N3/c1-11(14-2)13-4-3-9-16(13)10-12-5-7-15-8-6-12/h3-9,11,14H,10H2,1-2H3
InChIKeyDKBKSAPBROOPFD-UHFFFAOYSA-N
XLogP2.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanamine (CID 79102137) is N-methyl-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanamine is CNC(C)c1cccn1Cc1ccncc1.
What is the InChIKey of N-methyl-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanamine?
The InChIKey is DKBKSAPBROOPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-11(14-2)13-4-3-9-16(13)10-12-5-7-15-8-6-12/h3-9,11,14H,10H2,1-2H3.
What are the key properties of N-methyl-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanamine?
N-methyl-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanamine has a molecular weight of 215.30 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanamine is sourced from PubChem (CID 79102137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).